N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H20N4O2S/c1-22(2,3)14-10-8-13(9-11-14)17-12-29-21(23-17)24-20(28)18-15-6-4-5-7-16(15)19(27)26-25-18/h4-12H,1-3H3,(H,26,27)(H,23,24,28)